Molecule ID: mol4915
SMILES: Nc1ncnc2cn[nH]c12
InChI: InChI=1S/C5H5N5/c6-5-4-3(1-9-10-4)7-2-8-5/h1-2H,(H,9,10)(H2,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.96 | IUPAC digitized pKa | 1 » 0 |
| 5.00 | Datawarrior | 1 » 0 |
| 5.00 | OCHEM | 1 » 0 |
| 5.00 | QSARToolbox | 1 » 0 |
| 10.15 | Datawarrior | 0 » -1 |
| 10.15 | OCHEM | 0 » -1 |
| 10.19 | IUPAC digitized pKa | 0 » -1 |